Barbara Kirchner

University of Bonn — Germany

Chemical Engineering · Physical Sciences

65h-index16.4kcitations419works2.32yr avg
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Research Topics

Ionic liquids properties and applications(142), Crystallization and Solubility Studies(76), Spectroscopy and Quantum Chemical Studies(70), X-ray Diffraction in Crystallography(69), Advanced Chemical Physics Studies(63)

Publications419 total

Uncertainty Quantification for In Silico Chemistry
2026Open Access
A multifidelity Monte Carlo approach for simulating the diffusion coefficient of water. I. Forward problem
The Journal of Chemical Physics·2026
A Review of 2025 at <i>The Journal of Physical Chemistry B</i>
The Journal of Physical Chemistry B·2026
Mechanistic Study of Dienamine Catalysis for the Proline-Catalyzed Cyclohexadienal Formation from α,β-Unsaturated Aldehydes in Methanol
The Journal of Organic Chemistry·2026
Building Nanoplastic Models for Molecular Calculations
The Journal of Physical Chemistry B·2026
Solvation structures of potassium bis(trifluoromethylsulfonyl)imide–glyme highly concentrated electrolytes and cycling on organic cathodes
Dalton Transactions·2026Open Access
Carbon Polarization and Carbon Nanotube Stacking Impacts the Behavior of Water in Nanoconfinement
ACS Nano·2025
Carbon Polarization and Carbon Nanotube Stacking Impacts the Behavior of Water in Nanoconfinement
2025Open Access
A Multifidelity Monte Carlo Approach for Simulating the Diffusion Coefficient of Water. I. Forward Problem
2025· 1 citedOpen Access
MakroLyzer: A Graph-Based Software to Comb through Molecular Hairballs using the Example of Nanoplastics
The Journal of Physical Chemistry B·2025· 1 citedOpen Access
Denaturation of Water in Alkaline Melts
Chemistry - A European Journal·2025Open Access
Building Nanoplastic Models for Molecular Calculations
2025· 1 cited
Uncertainty Quantification for In Silico Chemistry
2025· 1 citedOpen Access
A Multifidelity Monte Carlo Approach for Simulating the Diffusion Coefficient of Water. I. Forward Problem
2025Open Access
Carbon Polarization and Carbon Nanotube Stacking Impacts the Behavior of Water in Nanoconfinement
2025Open Access
Beyond Pairwise Interactions: How Interfacial Polarization Modulates Water Flow in Graphene Nanochannels
ACS Applied Materials & Interfaces·2025· 2 cited
Formulation of Polarizable Force Fields to Model Simple Ionic Liquid/Graphite Interfaces
The Journal of Physical Chemistry B·2025
Explicit Modeling of Electronic Polarization Reveals Water-Mediated Screening of Ion Adsorption at Hexagonal Boron Nitride Interfaces
ACS Nano·2025
Influence of Internal Interfaces on the Structure and Dynamics of IL-Based Electrolytes Confined in a Metal–Organic Framework
The Journal of Physical Chemistry B·2025· 1 cited
50 and 100 Years Ago in <i>The Journal of Physical Chemistry</i> – 2025 Edition
The Journal of Physical Chemistry B·2025
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Frequent Co-authors

Martin Brehm(15), Jens Thar(10), Stefan Zahn(9), Oldamur Hollóczki(9), Martin A. Thomas(5), Tom Welton(5), Patricia A. Hunt(4), Henry Weber(4), Friedrich Malberg(4), Annegret Stark(4), Sascha Gehrke(3), Simone Koßmann(3), Markus Reiher(3), Alfonso S. Pensado(3), Jürg Hutter(3), Peter Nockemann(2), B. Thijs(2), Kristof Van Hecke(2), Luc Van Meervelt(2), Koen Binnemans(2)